547053

Source:http://linkedlifedata.com/resource/chembl/compound/547053

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:666164
chemicalCompound:standardIn...	InChI=1S/C19H27N5O4S.ClH/c1-11(2)16-17-15(24(19(16)26)29(3,27)28)6-7-23(17)18(25)14-10-21-13(9-22-14)8-20-12-4-5-12;/h9-12,15-17,20H,4-8H2,1-3H3;1H/t15-,16+,17-;/m1./s1
chemicalCompound:standardIn...	HWPSYMARTMTZTA-UNLWNTODSA-N
chemicalCompound:canonicalS...	Cl.CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c3cnc(CNC4CC4)cn3)N(C1=O)S(=O)(=O)C
chemicalCompound:molecularF...	C19H28ClN5O4S
chemicalCompound:moleculeId	547053
chemicalCompound:mwFreebase	421.514
chemicalCompound:alogp	-0.37
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	120.94
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.127
chemicalCompound:acdLogD	-0.138
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	457.975
chemicalCompound:acdMostBpk...	5.884
chemicalCompound:chemblId	CHEMBL543416
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:647053
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:35184, activity:35185, activity:35186, activity:35187, activity:35188, activity:35189, activity:35190, activity:35191, activity:35192, activity:35193, activity:35194, activity:35195, activity:35196, activity:35197, activity:35198, activity:35199, activity:35200, activity:35201, activity:35202, activity:35203, activity:35204, activity:35205, activity:35206, activity:35207, activity:35208, activity:35209, activity:35210, activity:35211, activity:35212, activity:35213, activity:35214, activity:35215, activity:35216